SMOG

To increase the accessibility of these modeling techniques, we provide the smog-server webtool, as well as the downloadable SMOG 2 software, which are able to generate SMOG models for use with Gromacs, NAMD, LAMMPS and OpenMM. While the webtool provides support for proteins, nucleic acids, and some ligands, SMOG 2 enables the application of structure-based models to any type of polymer-ligand system. For in-depth descriptions of the underlying models, and for examples of how to use the models, we refer you to the original publications and recent review articles.